ethyl 1-[[2-[(6-tert-butyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]-1,3-thiazol-4-yl]carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[2-[(6-tert-butyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]-1,3-thiazol-4-yl]carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)methyl]thiazole-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[2-[(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-4-thiazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-1,3-thiazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[2-[(6-tert-butyl-3-keto-1,4-benzoxazin-4-yl)methyl]thiazole-4-carbonyl]nipecotic acid ethyl ester Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CSC(=N2)CN3C(=O)COC4=C3C=C(C=C4)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CSC(=N2)CN3C(=O)COC4=C3C=C(C=C4)C(C)(C)C

InChI

InChI=1S/C25H31N3O5S/c1-5-32-24(31)16-7-6-10-27(12-16)23(30)18-15-34-21(26-18)13-28-19-11-17(25(2,3)4)8-9-20(19)33-14-22(28)29/h8-9,11,15-16H,5-7,10,12-14H2,1-4H3